3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride

C16H20ClN5O2 — CID 119379377

IUPAC3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(C(=O)N2CCCC(N)C2)nn1-c1ccccc1
InChIInChI=1S/C16H19N5O2.ClH/c17-11-5-4-8-20(10-11)16(23)13-9-14(15(18)22)21(19-13)12-6-2-1-3-7-12;/h1-3,6-7,9,11H,4-5,8,10,17H2,(H2,18,22);1H
InChIKeyJQMXXLCYSUXEOP-UHFFFAOYSA-N
MW349.82 g/mol
LogP0.96
Rot. Bonds3

About 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride

3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride (PubChem CID 119379377) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
PubChem CID119379377
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(C(=O)N2CCCC(N)C2)nn1-c1ccccc1
InChIInChI=1S/C16H19N5O2.ClH/c17-11-5-4-8-20(10-11)16(23)13-9-14(15(18)22)21(19-13)12-6-2-1-3-7-12;/h1-3,6-7,9,11H,4-5,8,10,17H2,(H2,18,22);1H
InChIKeyJQMXXLCYSUXEOP-UHFFFAOYSA-N
XLogP0.96
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
CID 119138860
1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118366
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
CID 119129371
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152722
5-[(3R)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152721
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride (CID 119379377) is 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride is Cl.NC(=O)c1cc(C(=O)N2CCCC(N)C2)nn1-c1ccccc1.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
The InChIKey is JQMXXLCYSUXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2.ClH/c17-11-5-4-8-20(10-11)16(23)13-9-14(15(18)22)21(19-13)12-6-2-1-3-7-12;/h1-3,6-7,9,11H,4-5,8,10,17H2,(H2,18,22);1H.
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride?
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119379377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).